A1ISS
Summary
| Name: | 4-(1H-pyrazol-4-yl)quinoline |
| Formula: | C12 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 195.22 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(1~{H}-pyrazol-4-yl)quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H9N3/c1-2-4-12-11(3-1)10(5-6-13-12)9-7-14-15-8-9/h1-8H,(H,14,15) |
| InChIKey | InChI | 1.06 | PJKFKLYKZFIEHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1cc(cn1)c2ccnc3ccccc23 |
| SMILES | CACTVS | 3.385 | [nH]1cc(cn1)c2ccnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccn2)c3c[nH]nc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccn2)c3c[nH]nc3 |
